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GPCR

Name	Beta-1 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB1
Synonym	Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR beta1-adrenoceptor beta-1 adrenoreceptor Beta-1 adrenoceptor B1AR beta-1 adrenergic receptor [ Show all ]
Disease	Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease Circulatory disorders Chronic open-angle glaucoma; Ocular hypertension Chronic open-angle glaucoma High blood pressure High blood pressure; Angina Hypertension Septic shock; Neurogenic shock Open-angle glaucoma; Ocular hypertension Migraine Maintenance of normal sinus rhythm Hypertension; Ventricular premature beats Hypertension; Heart arrhythmia Hypertension; Angina pectoris Hypertension; Angina Ventricular fibrillation Central and peripheral nervous diseases Acute supraventricular tachycardia Open-angle glaucoma Allergy; Sepsis Angina pectoris Angina pectoris; Hypertension Bronchodilator Cardiac arrhythmias [ Show all ]
Length	477
Amino acid sequence	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProt	P08588
Protein Data Bank	N/A
GPCR-HGmod model	P08588
3D structure model	This predicted structure model is from GPCR-EXP P08588.
BioLiP	N/A
Therapeutic Target Database	T44068
ChEMBL	CHEMBL213
IUPHAR	28
DrugBank	BE0000172

Ligand

Name	1-(Isopropylamino)-3-phenoxypropan-2-ol
Molecular formula	C12H19NO2
IUPAC name	1-phenoxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	209.289
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.7
Synonyms	Metoprolol succinate impurity F [EP] SCHEMBL7367812 (2RS)-1-((1-Methylethyl)amino)-3-phenoxypropan-2-ol 1-[(1-methylethyl)amino]-3-phenoxy-2-Propanol AKOS000301409 CS-0061042 HMS1685A01 N-isopropyl-phenoxypropanolamine ST24037611 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3-PHENOXY- AB0088237 BBL007800 D0J4JA KB-64743 Metoprolol IMpurity 06 SBB011228 T7065 (2-hydroxy-3-phenoxypropyl)(isopropyl)amine 1-phenoxy-3-(propan-2-ylamino)propan-2-ol 3-[(methylethyl)amino]-1-phenoxypropan-2-ol AG-690/32528022 GTPL546 Metoprolol tartrate specified impurity F [EP] SR-01000319120 (2RS)-1-[(1-Methylethyl)amino]-3-phenoxypropan-2-ol 1-[(methylethyl)amino]-3-phenoxypropan-2-ol ANW-65136 CTK7J6811 ICI 45849 KS-00000QBF Oprea1_256732 ST45137466 1-(phenoxy)-3-(propan-2-ylamino)propan-2-ol 2-Propanol, 1-[(1-methylethyl)amino]-3-phenoxy-, (S)- AC1MK3KK BDBM50169785 Desmethoxyethyl metoprolol Metoprolol Impurity F SC1422 TR-042056 (2-hydroxy-3-phenoxypropyl)(propan-2-yl)amine 1-phenoxy-3-[(propan-2-yl)amino]propan-2-ol 4CH-024157 AK103075 CHEMBL7154 H-9/64 MolPort-001-952-623 SR-01000319120-1 1-(isopropylamino)-3-phenoxy-2-propanol 2-Propanol, 1-((1-methylethyl)amino)-3-phenoxy- 7695-63-8 BAS 01022380 D0C7PK ICI-45849 MCULE-1010533153 Oprea1_349492 STK279775 (2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium 1-Isopropylamino-3-phenoxy-propan-2-ol 2005AC ACMC-20ma45 CCG-125023 DS-4011 [ Show all ]
Inchi Key	ONXLHKFGTDDVLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
PubChem CID	3123920
ChEMBL	CHEMBL7154
IUPHAR	546
BindingDB	50169785
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.98107 nM	PMID10079020	IUPHAR

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